Potassium Cation → 4-Methyl-1-(3-nitrophenyl)piperazin-2-one

HRID 2160210Notes

Reaction equation

HRID 2160210 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][O:43][CH2:44]1.[CH3:11][N:12]1[CH2:13][C:14](=[O:18])[NH:15][CH2:16][CH2:17]1.[CH3:19][NH:20][CH:21]1[CH2:22][CH2:23][CH2:24][CH2:25][CH:26]1[NH:27][CH3:28].[Cu:37][I:38].[I:1][c:2]1[cH:3][c:4]([N+:8](=[O:9])[O-:10])[cH:5][cH:6][cH:7]1.[K+:34].[K+:35].[K+:36].[P:29]([O-:30])([O-:31])([O-:32])=[O:33]>>[c:2]1([N:15]2[C:14](=[O:18])[CH2:13][N:12]([CH3:11])[CH2:17][CH2:16]2)[cH:3][c:4]([N+:8](=[O:9])[O-:10])[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 125741-Iodo-3-nitrobenzeneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 137042831-Methyl-3-oxopiperazine

Product 1

HCID 674787904-Methyl-1-(3-nitrophenyl)piperazin-2-one

Sources & evidence

ORD record
ord-5713d534fb234111b17551df7f5c9571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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